Geometry & MOs

Info

ID:	130518
PubChem CID:	51091018
Reduced:	O2S2N3C16H19 (1)
Stoich.:	A2B2C3D16E19 (1)
Weight, g/mol:	333.143704
ΔH_f, kcal/mol:	-39.82
Dipole, Da:	4.74
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(3,5-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)SCC2=CC(=CC=C2)C(=O)N(C)C)CC(=O)N

DOS

IR

Vibrations